Compound Detail
CHEMBL3644698
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Cc1nc2cnc3ccc(C#CCNC(=O)c4cc(Cl)nn(Cc5ccc(F)c(F)c5)c4=O)cc3c2n1C(C)C
Basic Information
| ChEMBL ID | CHEMBL3644698 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RECGDQSHJPMUMK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
561.0
MW (Da)
4.79
ALogP
7
HBA
1
HBD
94.7
PSA (Ų)
0.31
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3-phosphoinositide-dependent protein kinase 1 CHEMBL2534 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3-phosphoinositide-dependent protein kinase 1 | IC50 | = | 5.0 | nM | 8.3 | Kinase Assay: Recombinant human PDK1 enzyme (aa 52-556) linked at its N-terminal... | - |
Data from ChEMBL 36 via Core Engine